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CAS No.: | 109459-94-1 |
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Name: | 2-Chloro-3-chloromethylthiophene |
Molecular Structure: | |
Formula: | C5H4Cl2S |
Molecular Weight: | 167.059 |
Synonyms: | 2-Chlor-3-(chlormethyl)thiophen; |
EINECS: | 634-561-3 |
Density: | 1.409 g/cm3 |
Boiling Point: | 211.4 °C at 760 mmHg |
Flash Point: | 105.1 °C |
Hazard Symbols: | C |
Risk Codes: | C:; "> C:; |
PSA: | 28.24000 |
LogP: | 3.14030 |
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The Thiophene,2-chloro-3-(chloromethyl)-, with the CAS registry number 109459-94-1, is also known as 2-Chlor-3-(chlormethyl)thiophen. It belongs to the product categories of Thiophene & Benzothiophene. This chemical's molecular formula is C5H4Cl2S and molecular weight is 167.06. Its IUPAC name is called 2-chloro-3-(chloromethyl)thiophene. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact.
Physical properties of Thiophene,2-chloro-3-(chloromethyl)-: (1)ACD/LogP: 2.81; (2)ACD/LogD (pH 5.5): 2.81; (3)ACD/LogD (pH 7.4): 2.81; (4)ACD/BCF (pH 5.5): 80.32; (5)ACD/BCF (pH 7.4): 80.32; (6)ACD/KOC (pH 5.5): 803.69; (7)ACD/KOC (pH 7.4): 803.69; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 39.29 cm3; (11)Molar Volume: 118.5 cm3; (12)Surface Tension: 41.8 dyne/cm; (13)Density: 1.409 g/cm3; (14)Flash Point: 105.1 °C; (15)Enthalpy of Vaporization: 42.95 kJ/mol; (16)Boiling Point: 211.4 °C at 760 mmHg; (17)Vapour Pressure: 0.265 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1CCl)Cl
(2)InChI: InChI=1S/C5H4Cl2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
(3)InChIKey: KTIJEUOEWMDPKN-UHFFFAOYSA-N